4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid

C16H10O5 — CID 67365953

IUPAC4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2coc3cc(O)ccc3c2=O)cc1
InChIInChI=1S/C16H10O5/c17-11-5-6-12-14(7-11)21-8-13(15(12)18)9-1-3-10(4-2-9)16(19)20/h1-8,17H,(H,19,20)
InChIKeyCSDZXASRBPOKNC-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.86
Rot. Bonds2

About 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid

4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid (PubChem CID 67365953) has the molecular formula C16H10O5 and a molecular weight of 282.25 g/mol. Its IUPAC name is 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid
PubChem CID67365953
Molecular FormulaC16H10O5
Molecular Weight282.25 g/mol
Exact Mass282.05
IUPAC Name4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2coc3cc(O)ccc3c2=O)cc1
InChIInChI=1S/C16H10O5/c17-11-5-6-12-14(7-11)21-8-13(15(12)18)9-1-3-10(4-2-9)16(19)20/h1-8,17H,(H,19,20)
InChIKeyCSDZXASRBPOKNC-UHFFFAOYSA-N
XLogP2.86
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid?
The IUPAC name of 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid (CID 67365953) is 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid.
What is the SMILES notation for 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid?
The canonical SMILES for 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid is O=C(O)c1ccc(-c2coc3cc(O)ccc3c2=O)cc1.
What is the InChIKey of 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid?
The InChIKey is CSDZXASRBPOKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O5/c17-11-5-6-12-14(7-11)21-8-13(15(12)18)9-1-3-10(4-2-9)16(19)20/h1-8,17H,(H,19,20).
What are the key properties of 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid?
4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid has a molecular weight of 282.25 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid is sourced from PubChem (CID 67365953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).